- e -
- E
: mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >
, mat::EuclTruncationBase< Tmatrix, Treal >
, mat::XYZpUV< TX, TY, TZ, TU, TV >
- e2diag
: LR::LRSolver
- E_list
: DIISManager
- ed_params
: Ergo
- edfty
: uxc_data
, xc_data
- edOptions
: Ergo
- EIG_ABS_GAP_HOMO_VEC
: PurificationGeneral< MatrixType >
- EIG_ABS_GAP_LUMO_VEC
: PurificationGeneral< MatrixType >
- EIG_REL_GAP_HOMO_VEC
: PurificationGeneral< MatrixType >
- EIG_REL_GAP_LUMO_VEC
: PurificationGeneral< MatrixType >
- eigensolver_accuracy
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigensolver_maxiter
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigenvectors_iterative_method
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigenvectors_iterative_method_str
: PurificationGeneral< MatrixType >
- eigenvectors_method
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF::Options
- eigenvectors_method_str
: PurificationGeneral< MatrixType >
- eigIsSmall
: mat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector >
- eigValHOMO
: PurificationGeneral< MatrixType >
, PuriInfo
- eigValLUMO
: PurificationGeneral< MatrixType >
, PuriInfo
- eigValOCC
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF_restricted
- eigValOCC_alpha
: SCF_unrestricted
- eigValOCC_beta
: SCF_unrestricted
- eigvalueErrorLimit
: GetDensFromFock
- eigValUNOCC
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF_restricted
- eigValUNOCC_alpha
: SCF_unrestricted
- eigValUNOCC_beta
: SCF_unrestricted
- eigVecHOMORef
: PurificationGeneral< MatrixType >
- eigVecLUMORef
: PurificationGeneral< MatrixType >
- eigVecOCC
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF_restricted
- eigVecOCC_alpha
: SCF_unrestricted
- eigVecOCC_beta
: SCF_unrestricted
- eigVectorTri
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- eigVecUNOCC
: GetDensFromFock
, PurificationGeneral< MatrixType >
, SCF_restricted
- eigVecUNOCC_alpha
: SCF_unrestricted
- eigVecUNOCC_beta
: SCF_unrestricted
- el
: uxc_data
, xc_data
, XcData
- elapsedTimeCPU_sys
: SCF_timer
- elapsedTimeCPU_usr
: SCF_timer
- elapsedTimeWall
: SCF_timer
- electric_field
: SCF::Options
- electronic_temperature
: SCF::Options
- electronicEntropyTerm
: SCF_general
- electronicTemperature
: GetDensFromFock
- electrons
: LinData
- elementList
: csr_matrix_struct
- elements
: mat::MatrixHierarchicBase< Treal, Telement >
, mat::VectorHierarchicBase< Treal, Telement >
- end
: SparsePattern::Column::Iterator
- energy
: KsData< Matrix >
, SCF_general
, uks_data
, UksData< Matrix >
- energy_2el
: SCF_general
- energy_2el_core
: SCF_general
- energy_2el_valence
: SCF_general
- energy_diff_limit
: CI::Options
- energy_of_valence
: SCF_general
- energy_reference
: SCF_general
- eph
: RadialSchemeLMG
- ergoShells
: ErgoGridStream
- err_eig
: data_for_recexp
- err_sub
: data_for_recexp
- error_eig
: PurificationGeneral< MatrixType >
- error_maxabs_for_diis
: SCF::Options
- error_per_it
: PurificationGeneral< MatrixType >
- error_sub
: PurificationGeneral< MatrixType >
- error_subspace
: PuriInfo
- errorList_eucl
: MatAccInvestigator< Treal, Tworker >
- errorList_frob
: MatAccInvestigator< Treal, Tworker >
- errorList_maxe
: MatAccInvestigator< Treal, Tworker >
- ErrorMatrix
: SCF_restricted
- ErrorMatrix_alpha
: SCF_unrestricted
- ErrorMatrix_beta
: SCF_unrestricted
- errorMeasure
: SCF_general
- errorTol
: per::Perturbation< Treal, Tmatrix, Tvector >
- estim_total_it
: PuriInfo
- estimatedIntegralErrorDensity
: ComputeGridResultValuesStruct
- estimatedIntegralErrorEnergy
: ComputeGridResultValuesStruct
- eSub
: LR::LRSolver
- eucl_diff_time
: IterationInfo
- euclideanNormList
: multipole_struct_large
- eVal
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- eValTmp
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
, mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- eVec
: mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >
- exca
: uks_data
, UksData< Matrix >
- excb
: uks_data
, UksData< Matrix >
- exchange_box_size
: JK::Params
- excmat
: KsData< Matrix >
- expectedPoints
: Stream
- exponent
: cluster_struct
, distr_group_struct
, DistributionSpecStruct
, IntegratorCase
, unique_exponent_struct
- exponentList
: BasisFuncStruct
, basisset_shell_struct
, ShellSpecStruct
- extent
: BasisFuncStruct
, DistributionSpecStruct
, NeighbourList
, ShellSpecStructWithExtent
- extraCharges
: SCF_general
- extraChargesMolecule
: Ergo